General Information of the Compound
| Compound ID |
CP0012593
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| Compound Name |
4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-piperidine-1-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C21H24ClNO5S
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| Molecular Weight |
437.945
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| Canonical SMILES |
CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
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| InChIKey |
PGWYCWWVRQAMRF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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